Details of the Drug

General Information of Drug (ID: DMU86XT)

Drug Name
YM-201636
Synonyms
371942-69-7; YM201636; YM 201636; 6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide; 3-pyridinecarboxamide, 6-amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-; 6-amino-n-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide; 6-amino-N-[3-[4-(4-morpholinyl)-2-pyrido[2,3]furo[2,4-b]pyrimidinyl]phenyl]-3-pyridinecarboxamide; PubChem22459; cc-386; MLS006010997; SCHEMBL258416; CHEMBL2178735; CHEBI:91382; AOB1919; DTXSID90433303; EX-A037; QCR-257; BCPP000006; HMS3229J15; HMS3295C07; HMS3654F03; AMY23718; BCP01972; ABP000099; MFCD16038303; s1219; ZINC34048998; AKOS027250783; CCG-264866; CS-0592; NCGC00346683-01; NCGC00346683-09; 6-amino-N-[3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide; AK175782; AS-16693; HY-13228; SMR004702795; AB0035851; FT-0756177; SW218129-2; Y0272; A19418; W-5608; 942Y697; J-518249; BRD-K48488978-001-01-2; Q27163245; YM-201636,CAS:371942-69-7; 6-Amino-N-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl]pyridine-3-carboxamide; 6-Amino-N-{3-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl}pyridine-3-carboxamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 467.5
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C25H21N7O3
IUPAC Name
6-amino-N-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl]pyridine-3-carboxamide
Canonical SMILES
C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N
InChI
InChI=1S/C25H21N7O3/c26-19-7-6-16(14-28-19)24(33)29-17-4-1-3-15(13-17)22-30-20-18-5-2-8-27-25(18)35-21(20)23(31-22)32-9-11-34-12-10-32/h1-8,13-14H,9-12H2,(H2,26,28)(H,29,33)
InChIKey
YBPIBGNBHHGLEB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9956222
ChEBI ID
CHEMBL2178735
CAS Number
371942-69-7
TTD ID
DPN2R7
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphatidylinositol-3-phosphate 5-kinase (PIP5K3) TTA4M1N FYV1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Lysosomes as a therapeutic target. Nat Rev Drug Discov. 2019 Dec;18(12):923-948.
2 PIKfyve negatively regulates exocytosis in neurosecretory cells. J Biol Chem. 2008 Feb 1;283(5):2804-13.